Materials Data on NaCeO2 by Materials Project
NaCeO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent CeO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent CeO6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Na–O bond lengths are 2.60 Å. Ce3+ is bonded to six equivalent O2- atoms to form CeO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent CeO6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Ce–O bond lengths are 2.40 Å. O2- is bonded to three equivalent Na1+ and three equivalent Ce3+ atoms to form a mixture of corner and edge-sharing ONa3Ce3 octahedra. The corner-sharing octahedral tilt angles are 0°.